logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC02011484

 MMsINC code: MMs02849522
Type: Neutral
Formula: C5H10O5
SMILES:   OC(CC(O)CO)C(O)=O
InChI:   InChI=1/C5H10O5/c6-2-3(7)1-4(8)5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m1/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=31.0248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.13 g/mol  logS: 0.81947  SlogP: -1.8248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100549  Sterimol/B1: 2.55148  Sterimol/B2: 2.9908  Sterimol/B3: 3.29791
  Sterimol/B4: 3.82108  Sterimol/L: 10.7745 
 
 Surface and Volume Properties
  Accessible surface: 321.403  Positive charged surface: 217.216  Negative charged surface: 104.187  Volume: 129.75
  Hydrophobic surface: 101.651  Hydrophilic surface: 219.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02849523
PUBCHEM-ZINC02011484